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arXiv:cond-mat/0406042 · Journal of the Physical Society of Japan

Local Edge Modes in Doped Cuprates with Checkerboard Polaronic Heterogeneity

Eiji Kaneshita, Ivar Martin, A. R. Bishop

Published Dec 15, 2004• 12 citations
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Abstract

We study a periodic polaronic system, which exhibits a nanoscale superlattice structure, as a model for hole-doped cuprates with checkerboard-like heterogeneity, as has been observed recently by scanning tunneling microscopy (STM). Within this model, the electronic and phononic excitations are investigated by applying an unrestricted Hartree-Fock and a random phase approximation (RPA) to a multiband Peierls-Hubbard Hamiltonian in two dimensions.

DOI
10.1143/jpsj.73.3223

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We study the effect of long-range hoppings on Tc{T}_{c}Tc​ for the two-dimensional (2D) Hubbard model with and without Holstein phonons using parameters evaluated from band-structure calculations for cuprates. Employing the dynamical cluster approximation (DCA) with a quantum Monte Carlo (QMC) cluster solver for a 4-site cluster, we observe that without phonons, the long-range hoppings, ${t}^{\ensuremath{'}}$ and ${t}^{\ensuremath{''}}$, generally suppress Tc{T}_{c}Tc​. We argue that this trend remains valid for larger clusters. In the presence of the Holstein phonons, a finite ${t}^{\ensuremath{'}}$ enhances Tc{T}_{c}Tc​ in the under-doped region for the hole-doped system, consistent with local-density approximation (LDA) calculations and experiment. This is interpreted through the suppression of antiferromagnetic (AF) correlations and the interplay between polaronic effects and the antiferromagnetism.
Motivated by aspects of layered high-temperature superconductors and related quasi-one-dimensional materials, we consider polaron structure, dynamics, and coherence in certain extended Peierls–Hubbard models. We emphasize the qualitative importance of electron–lattice interactions even in the presence of dominant electron–electron correlations, the signatures of polaron structure and dynamics in energy-resolved pair-distribution structure functions, and the effect of disorder on polaron propagation and stability. Introduction The formation and dynamics of polarons (and bipolarons), despite a halfcentury of theoretical and experimental study, remain fascinating topics in many-body physics, combining as they do (often competing) aspects of coupled fields with distinct natural time scales (e.g., electron–phonon, spin–phonon, exciton–phonon), electron–electron interactions, lattice discreteness, nonadiabaticity, collective quantum tunneling, thermal fluctuations, competitions between disorder and polaronic localization, etc. Direct observation of polarons through real-space imaging of any of the coupled fields is rare even with the advent of STEM , AFM techniques, etc. Likewise, global measurements such as that of electronic band-structure are insensitive to polaron features. Thus, experiments and theoretical techniques have had to focus on indirect effects on microscopic probes such as transport coefficients, electronic absorption, vibrational spectroscopy, and so forth. Our purpose here is to briefly review three qualitative effects in polaron physics that have arisen in modeling two components of the lattice structure of the layered cuprate superconductors [1] – namely, extended multi-band Peierls–Hubbard models of (a) the active CuO 2 planes and (b) polarizable Cu–O clusters in the axial direction (polarizable interplanar medium).
Electronic structures of the two-dimensional doped Hubbard model are investigated by using the resonating Hartree–Fock method. It is shown that doped holes form polarons in a wide range of doping regions relevant to superconductivity. The momentum distribution of electrons and the spin correlation function indicate that carriers change from polarons to conventional holes as we enhance hole doping. We will visualize quantum fluctuations in these electronic states by analyzing the structures of the Slater determinants generating the resonating Hartree–Fock wave functions.
We investigate the formation of charge domain walls in an electron-doped extended Hubbard model for the superconducting cuprates. Within an unrestricted Hartree-Fock approach, extended by slave bosons to obtain a better treatment of strong correlations, we demonstrate the occurrence of stripes in the (1,1) and (1,-1) directions having one doped electron per stripe site. The different filling, direction, and width of these electron-doped stripes with respect to those obtained in the hole-doped systems have interesting observable consequences.